Personal Websites

Advanced Multiscale Simulation Lab:

Alexey Vishnyakov

My research is focused on development of new efficient methods for molecular and mesoscale simulations with applications to practical problem of colloid and interface science. Since joining Skoltech in 2018, I am working on data-driven modeling, which incorporates classical deterministic methods, such as molecular dynamics or finite elements and machine learning. These hybrid methods are applied in computational design of porous materials, as well as tailoring polymers and surfactants to particular applications (e.g. in oil & gas).

After obtaining PhD, I worked as a scientist at a small research company located in NJ, and later at Rutgers University as a research professor. I co-authored about 65 journal papers and numerous research reports on different projects. Because I enjoy working on live practical topics, Skoltech attracts me by strong connections to industry, not to mention students of talent and academic preparation and computer facilities.

Google scholar profile:

Research areas:

  • Advancing of mathematical modeling methodology & simulation techniques
  • Physics-informed machine learning
  • Porous structures & interfaces: characterization, thermodynamics and transport
  • Structure-property relationships in soft matter
  • Statistical mechanics, especially in application to complex media and molecules

Key publications:

  • Vishnyakov A, Lee MT, Neimark AV. Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations. J. Phys. Chem. Lett. 2013; 4(5):797-802.
  • Vishnyakov A, Neimark AV. Multicomponent gauge cell method. J. Chem. Phys. 2009;130(22).
  • Neimark AV, Ravikovitch PI, Vishnyakov A. Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores. J. Phys. Condensed Matter. 2003; 15(3):347-65
  • Vishnyakov A, Widmalm G, Kowalewski J, Laaksonen A. Molecular dynamics simulation of the alpha-D-Manp-(1 -> 3)-beta-D-Glcp-OMe disaccharide in water and water DMSO solution. J. Am. Chem. Soc. 1999; 121(23): 5403-12
  • Ravikovitch PI, Vishnyakov A, Russo R, Neimark AV. Unified approach to pore size characterization of microporous carbonaceous materials from N-2, Ar, and CO2 adsorption isotherms. Langmuir. 2000;16(5):2311


Bruna Faria — PhD student, started AY 2018-2019 (Statistical Mechanics of macromolecules, mesoscale simulations)

Andrew Olhin — PhD student, AY 2019-2020 (Multiphase flows in porous media)

Ilya Kopanichuk — research intern (Colloid Chemistry / Petroleum research)


  • Thermodynamics & transport at nanoscale (3cr, term 4)
  • Soft Matter in practice (3cr, term 2/6)

Coming in the following academic years:

  • Statistical mechanics beyond physics (3cr)
  • Innovation workshop